1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione

C10H4Br2O2S2 — CID 11280423

IUPAC1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)c1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C10H4Br2O2S2/c11-7-3-1-5(15-7)9(13)10(14)6-2-4-8(12)16-6/h1-4H
InChIKeyLKRFGEDFCXTMMZ-UHFFFAOYSA-N
MW380.08 g/mol
LogP4.40
Rot. Bonds3

About 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione

1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione (PubChem CID 11280423) has the molecular formula C10H4Br2O2S2 and a molecular weight of 380.08 g/mol. Its IUPAC name is 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione
PubChem CID11280423
Molecular FormulaC10H4Br2O2S2
Molecular Weight380.08 g/mol
Exact Mass377.80
IUPAC Name1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)c1ccc(Br)s1)c1ccc(Br)s1
InChIInChI=1S/C10H4Br2O2S2/c11-7-3-1-5(15-7)9(13)10(14)6-2-4-8(12)16-6/h1-4H
InChIKeyLKRFGEDFCXTMMZ-UHFFFAOYSA-N
XLogP4.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.08
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-Acetyl-5-bromothiophene
CID 79335
2-Bromo-1-(5-bromothiophen-2-yl)ethan-1-one
CID 1988398
2,2'-Thenil
CID 275005
5,5'-Diacetyl-2,2'-bithiophene
CID 305890
5'-Bromo(2,2'-bithiophene)-5-carbaldehyde
CID 11065610
1,2-Di-2-thienylethanone
CID 13427165
1,2-Bis(4-bromothiophen-2-yl)ethane-1,2-dione
CID 11245953
(2E,5E)-2,5-bis[(5-bromothiophen-2-yl)methylidene]cyclopentan-1-one
CID 18226036
1-(5-((5-Acetyl-2-thienyl)methyl)-2-thienyl)ethanone
CID 315626
1-(5-Bromothiophen-2-yl)-2-fluoroethan-1-one
CID 59632164
1-(5-Bromothien-2-yl)butan-1-one
CID 255139
1-(5-Bromothiophen-2-yl)propan-1-one
CID 255121

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione?
The IUPAC name of 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione (CID 11280423) is 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione.
What is the SMILES notation for 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione?
The canonical SMILES for 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione is O=C(C(=O)c1ccc(Br)s1)c1ccc(Br)s1.
What is the InChIKey of 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione?
The InChIKey is LKRFGEDFCXTMMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Br2O2S2/c11-7-3-1-5(15-7)9(13)10(14)6-2-4-8(12)16-6/h1-4H.
What are the key properties of 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione?
1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione has a molecular weight of 380.08 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione is sourced from PubChem (CID 11280423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).